N-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide

C15H17N5O3 — CID 136570666

IUPACN-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide
SMILESCOCCn1nnnc1NC(=O)c1ccc2c(c1)CCCC2=O
InChIInChI=1S/C15H17N5O3/c1-23-8-7-20-15(17-18-19-20)16-14(22)11-5-6-12-10(9-11)3-2-4-13(12)21/h5-6,9H,2-4,7-8H2,1H3,(H,16,17,19,22)
InChIKeyGDJHXNBYUDYHMX-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.09
Rot. Bonds5

About N-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide

N-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide (PubChem CID 136570666) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide
PubChem CID136570666
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide
SMILESCOCCn1nnnc1NC(=O)c1ccc2c(c1)CCCC2=O
InChIInChI=1S/C15H17N5O3/c1-23-8-7-20-15(17-18-19-20)16-14(22)11-5-6-12-10(9-11)3-2-4-13(12)21/h5-6,9H,2-4,7-8H2,1H3,(H,16,17,19,22)
InChIKeyGDJHXNBYUDYHMX-UHFFFAOYSA-N
XLogP1.09
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-ethyl-1H-tetrazol-5-yl)-2-naphthamide
CID 925601
N-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide
CID 934049
N-(2-propyl-2H-tetrazol-5-yl)naphthalene-2-carboxamide
CID 893968
2-methyl-N-(1-methyl-1H-tetraazol-5-yl)benzamide
CID 925647
4-ethyl-N-(1-ethyl-1H-tetrazol-5-yl)benzamide
CID 3841424
4-[[5-(2,6-Diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide
CID 136569394
N-(1-ethyltetrazol-5-yl)-2,3-dimethyl-4-(trifluoromethyl)benzamide
CID 121418999
2,3-dimethyl-N-(1-propyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 121419000
3-(cyclopropanecarbonyl)-N-(1-ethyltetrazol-5-yl)-2-methyl-4-(trifluoromethyl)benzamide
CID 137462638
4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide
CID 147229389
4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide
CID 160895407
4-(difluoromethyl)-2,3-dimethyl-N-(1-propyltetrazol-5-yl)benzamide
CID 161806343

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide (CID 136570666) is N-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide is COCCn1nnnc1NC(=O)c1ccc2c(c1)CCCC2=O.
What is the InChIKey of N-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide?
The InChIKey is GDJHXNBYUDYHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-23-8-7-20-15(17-18-19-20)16-14(22)11-5-6-12-10(9-11)3-2-4-13(12)21/h5-6,9H,2-4,7-8H2,1H3,(H,16,17,19,22).
What are the key properties of N-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide?
N-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide is sourced from PubChem (CID 136570666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).